8,10-dimethyl-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one

Systemtic Name: 8,10-dimethyl-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Openeye Name: 8,10-dimethyl-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one CAS Name: 8,10-dimethyl-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one IUPAC Name: 8,10-dimethyl-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Traditional Name: 8,10-dimethyl-2-phenyl-4,4a,5,6-tetrahydro-[1]benzothiepino[5,4-c]pyridazin-3-one Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C3=NN(C(=O)CC3CCS2)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C3=NN(C(=O)CC3CCS2)C4=CC=CC=C4)C

InChI

InChI=1S/C20H20N2OS/c1-13-10-14(2)20-17(11-13)19-15(8-9-24-20)12-18(23)22(21-19)16-6-4-3-5-7-16/h3-7,10-11,15H,8-9,12H2,1-2H3